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Spin dynamics via a time-dependent adiabatic GW method with spin-dependent interactions

ORAL

Abstract

We present a methodology for GW plus Bethe-Salpeter Equation (GW-BSE) calculations with the included effects of spin-dependent interactions. Using the spin-dependent Hedin equations [1], we are able to include the relativistic spin-spin and spin-orbit interactions of the Pauli-Breit Hamiltonian alongside the bare Coulomb interaction in calculating the dielectric matrix, self-energies, and BSE kernel matrix elements. With spin-dependent interactions included in the BSE kernel, we simulate spin dynamics after laser excitation within a time-dependent adiabatic GW (TD-aGW) method based on the real-time propagation of the interacting density matrix [2]. We discuss an application to the all-optical magnetization reversal by circularly polarized pulses in monolayer CrI3. In this phenomenon, the light pulse populates a bright exciton state with a large orbital moment, which couples to the lattice spins through spin-orbit coupling. Further applications in magnetic systems will be discussed.

[1] Aryasetiawan, F., & Biermann, S. (2009). J. Phys. Condens. Matter, 21(6), 064232.

[2] Chan, Y. H., Qiu, D. Y., da Jornada, F. H., & Louie, S. G. (2021). Proc. Natl. Acad. Sci. U.S.A., 118(25), e1906938118.

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Presenters

  • Jack McArthur

    University of California, Berkeley

Authors

  • Jack McArthur

    University of California, Berkeley

  • Zhenglu Li

    University of Southern California

  • Steven G Louie

    University of California, Berkeley, University of California, Berkeley and Lawrence Berkeley National Lab, University of California, Berkeley and Lawrence Berkeley National Laboratory, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California at Berkeley, Berkeley, CA, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA